1-dichlorophosphoryloxy-2-ethoxyethane

C4H9Cl2O3P — CID 12585942

IUPAC1-dichlorophosphoryloxy-2-ethoxyethane
SMILESCCOCCOP(=O)(Cl)Cl
InChIInChI=1S/C4H9Cl2O3P/c1-2-8-3-4-9-10(5,6)7/h2-4H2,1H3
InChIKeyHMRDTGSVFPQEJJ-UHFFFAOYSA-N
MW206.99 g/mol
LogP2.63
Rot. Bonds5

About 1-dichlorophosphoryloxy-2-ethoxyethane

1-dichlorophosphoryloxy-2-ethoxyethane (PubChem CID 12585942) has the molecular formula C4H9Cl2O3P and a molecular weight of 206.99 g/mol. Its IUPAC name is 1-dichlorophosphoryloxy-2-ethoxyethane.

Molecular Properties

Compound Name1-dichlorophosphoryloxy-2-ethoxyethane
PubChem CID12585942
Molecular FormulaC4H9Cl2O3P
Molecular Weight206.99 g/mol
Exact Mass205.97
IUPAC Name1-dichlorophosphoryloxy-2-ethoxyethane
SMILESCCOCCOP(=O)(Cl)Cl
InChIInChI=1S/C4H9Cl2O3P/c1-2-8-3-4-9-10(5,6)7/h2-4H2,1H3
InChIKeyHMRDTGSVFPQEJJ-UHFFFAOYSA-N
XLogP2.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.99
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium 2-ethoxyethyl phosphate
CID 139597529
2-ethoxyethyl diethyl phosphate
CID 3052884
1-dichlorophosphoryloxyoctadecane
CID 88757359
1,2-diethoxyethane;hydrofluoride
CID 175535770
1-dichlorophosphoryloxy-3,3-dimethylpentane
CID 88829328
1,2-diethoxyethane;ethene
CID 158825770
sodium;1,2-diethoxyethane;hydride
CID 174903036
CID 101447150
CID 101447150
bis(1-ethoxy-2-methoxyethane);hydrate
CID 88797439
1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-2-methoxyethane
CID 19982973
1,2-dimethoxyethane;1-ethoxy-2-(2-ethoxyethoxy)ethane
CID 159445382
butoxy 2-(2-ethoxyethoxy)ethyl hydrogen phosphate
CID 122611661

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxy-2-ethoxyethane?
The IUPAC name of 1-dichlorophosphoryloxy-2-ethoxyethane (CID 12585942) is 1-dichlorophosphoryloxy-2-ethoxyethane.
What is the SMILES notation for 1-dichlorophosphoryloxy-2-ethoxyethane?
The canonical SMILES for 1-dichlorophosphoryloxy-2-ethoxyethane is CCOCCOP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryloxy-2-ethoxyethane?
The InChIKey is HMRDTGSVFPQEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2O3P/c1-2-8-3-4-9-10(5,6)7/h2-4H2,1H3.
What are the key properties of 1-dichlorophosphoryloxy-2-ethoxyethane?
1-dichlorophosphoryloxy-2-ethoxyethane has a molecular weight of 206.99 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxy-2-ethoxyethane is sourced from PubChem (CID 12585942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).